UCSF

ZINC01393547

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 17 Yes

Popular Name: Ethyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate Ethyl imidazo[2,1-b][1,3]benzoth…

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CAS Numbers: 64951-05-9 , [64951-05-9]

Other Names:

MFCD00203009

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.99 8.11 -10.94 0 4 0 44 246.291 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 132 - 135 KeyOrganics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104301-1-O GABA-A Receptor; Anion Channel (cluster #1 Of 8), Other Other 120 0.57 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 120 0.57 Binding ≤ 1μM
Z104301 Z104301 GABA-A Receptor; Anion Channel 120 0.57 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )